1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene

C12H8BrF3O — CID 14982609

IUPAC1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene
SMILESCOc1ccc2cc(C(F)(F)F)ccc2c1Br
InChIInChI=1S/C12H8BrF3O/c1-17-10-5-2-7-6-8(12(14,15)16)3-4-9(7)11(10)13/h2-6H,1H3
InChIKeyOLYQJNQWEMVVQI-UHFFFAOYSA-N
MW305.09 g/mol
LogP4.63
Rot. Bonds1

About 1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene

1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene (PubChem CID 14982609) has the molecular formula C12H8BrF3O and a molecular weight of 305.09 g/mol. Its IUPAC name is 1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene
PubChem CID14982609
Molecular FormulaC12H8BrF3O
Molecular Weight305.09 g/mol
Exact Mass303.97
IUPAC Name1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene
SMILESCOc1ccc2cc(C(F)(F)F)ccc2c1Br
InChIInChI=1S/C12H8BrF3O/c1-17-10-5-2-7-6-8(12(14,15)16)3-4-9(7)11(10)13/h2-6H,1H3
InChIKeyOLYQJNQWEMVVQI-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.09
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 78786
CID 78786
CID 72860
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CID 138521
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CID 262267
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CID 3503057
CID 3503057
CID 13351910
CID 13351910
CID 11529664
CID 11529664
CID 236858
CID 236858
CID 16217848
CID 16217848
CID 627413
CID 627413
CID 288221
CID 288221
CID 292240
CID 292240

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene?
The IUPAC name of 1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene (CID 14982609) is 1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene.
What is the SMILES notation for 1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene?
The canonical SMILES for 1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene is COc1ccc2cc(C(F)(F)F)ccc2c1Br.
What is the InChIKey of 1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene?
The InChIKey is OLYQJNQWEMVVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3O/c1-17-10-5-2-7-6-8(12(14,15)16)3-4-9(7)11(10)13/h2-6H,1H3.
What are the key properties of 1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene?
1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene has a molecular weight of 305.09 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxy-6-(trifluoromethyl)naphthalene is sourced from PubChem (CID 14982609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).